SCHEMBL22636765

SCHEMBL22636765

O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cncn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31053870 0.89 ALDH1A1 (0.46) GAAALDH1A1KDM4EMAPTKMT2A
SCHEMBL16168691 0.79 POLB (0.65) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL29758132 0.79 MAPT (0.65) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL7445704 0.79 MAPT (0.65) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL996297 0.78 ALDH1A1 (0.58) GAAALDH1A1KDM4EMAPTKMT2A
SCHEMBL12391448 0.77 ALDH1A1 (0.52) GAAALDH1A1KDM4EMAPTCYP1A2
SCHEMBL14322049 0.77 MAPT (0.55) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL299335 0.76 MAPT (0.65) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL15828736 0.76 KMT2A (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL10066581 0.76 KMT2A (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966196-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-03-16 EP disclosed
WO-2020225569-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2020-11-12 WO disclosed